Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | TTR | P02766 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL524725 | 0.80 | CA1 (0.42) | HSD17B10HIF1ASMN1; SMN2ALOX15ALOX12 | |
| SCHEMBL3029667 | 0.78 | HSD17B10 (0.46) | HSD17B10HIF1ACYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL23304085 | 0.78 | CYP3A4 (0.33) | HSD17B10HIF1AALOX15ALOX12TSHR | |
| SCHEMBL9051494 | 0.76 | TSHR (0.40) | HSD17B10HIF1ACYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL24161857 | 0.76 | KDM1A (0.32) | KDM1AKDM1B | |
| SCHEMBL24727674 | 0.76 | HSD17B10 (0.40) | HSD17B10HIF1ACYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL3822643 | 0.75 | CA1 (0.37) | CYP3A4ALDH1A1MAPTTDP1KDM1A | |
| SCHEMBL25924982 | 0.72 | SIRT1 (0.41) | HSD17B10HIF1ACYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL31026375 | 0.71 | TSHR (0.31) | TSHRNQO2KDM1AKDM1B | |
| SCHEMBL21186739 | 0.71 | HSD17B10 (0.42) | HSD17B10HIF1ACYP2C9CYP2C19SMN1; SMN2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022216945-A1 | MACROCYCLIC MCL1 INHIBITORS AND USES THEREOF | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2022-10-13 | — | — | WO | disclosed |